Methyl 5-chloro-3-pyridazinecarboxylate

Name: Methyl 5-chloro-3-pyridazinecarboxylate
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CAS No. 1256786-31-8
Cat. No. CS-0653812
Purity≥98%
MDL No.None

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Methyl 5-chloro-3-pyridazinecarboxylate|CS-0653812

Structure of 1256786-31-8

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General Information

CAS No. 1256786-31-8
Cat. No. CS-0653812
Purity ≥98%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₂O₂
Molecular Weight 172.57
Synonym(s) None
SMILES O=C(C1=NN=CC(Cl)=C1)OC

Description

Methyl 5-chloro-3-pyridazinecarboxylate features a chlorinated pyridazine core that imparts enhanced reactivity in cross-coupling and nucleophilic substitution processes. This bench-stable, moisture-tolerant reagent integrates efficiently into synthetic sequences requiring electron-deficient heterocyclic building blocks.

Application

Methyl 5-chloro-3-pyridazinecarboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridazine scaffolds. The chloro group at the 5-position facilitates nucleophilic substitution reactions, while the ester functionality supports further transformations such as hydrolysis or reduction. Its bench-stable nature and compatibility with common coupling protocols make it well-suited for medicinal chemistry campaigns and process development workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 52.08
LogP 0.9166
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridazine compounds

Key Words

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Methyl 5-chloro-3-pyridazinecarboxylate

CAS No. 1256786-31-8

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